NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4793 8.1476 120.6183 55.4204 34.1632 173.7614 2 Q 4.6988 8.4291 123.0648 55.1649 29.9510 173.2158 3 Y 5.0828 9.5753 122.0074 56.0795 41.7972 175.7591 4 K 5.2699 9.1956 122.7367 54.6235 35.9562 174.3795 5 L 4.8558 8.7935 128.0484 53.0987 44.9138 174.9193 6 V 4.6263 8.7017 126.7612 61.2973 33.7822 174.1742 7 I 4.4359 8.7095 129.5870 59.5027 39.3698 175.3307 8 N 5.3031 8.8295 127.4471 51.6129 37.5377 174.1569 9 G 4.2109 8.3131 109.0563 44.6505 0.0000 172.7918 10 K 4.2626 8.7070 119.0706 58.9857 32.1106 178.7889 11 T 4.4039 7.8173 112.4824 63.1958 71.1585 173.7995 12 L 4.6739 7.7131 123.2224 52.9468 43.6647 175.0219 13 K 5.1043 9.0502 124.3566 53.5946 36.7125 177.4055 14 G 4.0234 7.3466 108.9178 46.2988 0.0000 170.7741 15 E 5.1936 8.1300 120.5841 55.5465 34.0559 174.3251 16 T 4.8154 8.6713 115.8446 61.3542 71.7118 171.9749 17 T 5.4616 8.2561 112.9203 60.7369 72.4232 172.6974 18 T 4.7007 9.0898 115.0782 60.9650 71.3071 172.0861 19 K 5.2770 8.5237 125.0119 54.9291 34.1432 175.4101 20 A 4.6783 8.7762 124.6341 50.9976 22.0461 176.9530 21 V 3.8350 8.5338 112.6529 63.6978 32.2615 176.5744 22 D 4.8451 7.5703 117.9120 50.8940 43.4558 175.8546 23 A 3.4763 8.5038 121.4755 54.9345 18.3195 179.6840 24 E 3.8048 7.9635 115.8253 59.8084 29.8438 179.4516 25 T 3.7232 8.5881 116.9328 66.1672 68.3772 176.6365 26 A 3.4245 7.3370 122.3421 54.6570 18.2090 179.1646 27 E 3.2059 7.9786 118.1665 59.2178 29.6423 179.2349 28 K 3.7620 7.6688 118.0640 59.3196 32.1038 179.1958 29 A 3.8693 7.4902 120.5234 55.2360 18.1863 179.7896 30 F 4.6443 7.9282 116.4958 60.6592 38.9632 178.2102 31 K 3.9222 8.3634 118.7824 59.2350 31.6530 179.2453 32 Q 3.9658 8.1353 120.0637 59.2190 29.0674 177.4662 33 Y 4.1388 8.2998 120.3720 60.7587 38.7936 178.0419 34 A 3.9682 8.6718 121.7913 55.2807 18.5763 179.3058 35 N 4.2844 8.3345 114.9437 56.7499 38.4432 177.4244 36 D 4.4343 8.2623 119.1409 56.6399 40.8701 177.6240 37 N 4.7538 7.4364 114.0314 52.2004 38.7956 175.4218 38 G 3.8262 7.6597 107.8484 46.1253 0.0000 173.7493 39 V 4.1431 7.8042 119.6608 61.4506 32.1198 175.5439 40 D 4.8026 9.6316 127.0555 52.1791 41.6628 174.2870 41 G 4.1261 8.1718 113.9197 44.0042 0.0000 169.3566 42 V 4.6769 8.1562 111.8564 59.6022 34.1274 175.4113 43 W 5.4900 9.0756 123.1790 55.2791 32.0327 174.9864 44 T 5.0132 9.0433 112.0928 60.3165 72.0302 172.0026 45 Y 5.0775 8.4006 122.1490 56.0123 42.6754 172.9373 46 D 4.5838 7.8142 126.2384 52.1879 42.6860 176.1964 47 D 4.0544 8.5547 125.6749 56.1845 41.6668 177.2533 48 A 4.0758 8.4915 122.4797 54.3769 18.3686 178.0496 49 T 4.3687 7.7351 102.3665 60.4307 69.8742 173.9736 50 K 4.0422 7.5757 120.6796 58.3867 30.5951 174.3995 51 T 5.3158 7.5434 113.1464 61.9411 72.0177 173.7294 52 F 5.5968 9.6311 124.9070 56.4091 42.0125 174.9815 53 T 5.1750 9.0419 118.0792 61.7148 72.6729 173.2776 54 V 4.3483 8.2614 124.4801 59.8361 34.3696 174.3209 55 T 4.9407 8.4853 118.8050 60.1527 70.6787 173.4076 56 E 4.3049 8.4846 126.4166 56.4938 29.3125 175.9659 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.15 4.48 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.71 0.00 2 Q 8.43 4.70 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 3 Y 9.58 5.08 0.00 3.15 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 9.20 5.27 0.00 1.93 1.74 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 5 L 8.79 4.86 0.00 0.27 0.70 0.69 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.70 4.63 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 7 I 8.71 4.44 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.92 0.00 0.00 8 N 8.83 5.30 0.00 2.64 2.67 0.00 0.00 6.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.31 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.71 4.26 0.00 1.77 1.87 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 11 T 7.82 4.40 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 12 L 7.71 4.67 0.00 1.67 1.48 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 K 9.05 5.10 0.00 1.70 1.61 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.40 7.81 14 G 7.35 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.13 5.19 0.00 1.80 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 16 T 8.67 4.82 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 17 T 8.26 5.46 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 18 T 9.09 4.70 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 19 K 8.52 5.28 0.00 1.68 1.73 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 20 A 8.78 4.68 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.53 3.83 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 22 D 7.57 4.85 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.50 3.48 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.96 3.80 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 25 T 8.59 3.72 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 26 A 7.34 3.42 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.98 3.21 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 28 K 7.67 3.76 0.00 1.85 1.72 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.31 7.81 29 A 7.49 3.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.93 4.64 0.00 2.88 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.36 3.92 0.00 1.54 1.68 0.00 1.28 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.69 1.17 7.81 32 Q 8.14 3.97 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 33 Y 8.30 4.14 0.00 3.24 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.67 3.97 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.33 4.28 0.00 3.02 2.89 0.00 0.00 7.08 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.26 4.43 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.44 4.75 0.00 2.41 2.62 0.00 0.00 6.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.66 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.80 4.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.87 0.00 0.00 40 D 9.63 4.80 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.16 4.68 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.99 0.00 0.00 43 W 9.08 5.49 0.00 3.21 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.04 5.01 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 45 Y 8.40 5.08 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.81 4.58 0.00 2.55 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.55 4.05 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.49 4.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.74 4.37 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 50 K 7.58 4.04 0.00 1.91 1.83 0.00 1.63 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.41 7.81 51 T 7.54 5.32 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 52 F 9.63 5.60 0.00 3.08 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.04 5.17 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 54 V 8.26 4.35 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.21 0.00 0.00 55 T 8.49 4.94 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 56 E 8.48 4.30 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.18 0.00